Geometry & MOs

Info

ID:	181858
PubChem CID:	76805552
Reduced:	SF2O3N5H17C19 (1)
Stoich.:	AB2C3D5E17F19 (1)
Weight, g/mol:	450.137319
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	7.51
IP(EA), eV:	-9.46(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,4-dimethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1OC2=CC=C(C=C2)F)C(C)NS(=O)(=O)C3=CC(=C(C=C3)F)C#N

DOS

IR

Vibrations